SCHEMBL28255243

SCHEMBL28255243

CC(C)CC(C(=O)O)=C(C(C)C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.39
GRIK1 P39086 3/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
GRIA4 P48058 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK5 Q16478 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL610561 0.84 ALDH1A1 (0.50) ALDH1A1TDP1CA2GRIK1MMP1
SCHEMBL610562 0.84 ALDH1A1 (0.50) ALDH1A1TDP1CA2GRIK1MMP1
SCHEMBL4620869 0.84 ALDH1A1 (0.50) ALDH1A1TDP1CA2GRIK1MMP1
SCHEMBL8778791 0.81 ALDH1A1 (0.48) ALDH1A1TDP1CA2GRIK1MMP1
SCHEMBL17386531 0.78 ALDH1A1 (0.40) ALDH1A1TDP1CA2GRIK1MMP1
SCHEMBL17386530 0.78 ALDH1A1 (0.40) ALDH1A1TDP1CA2GRIK1MMP1
SCHEMBL28146034 0.77 ALDH1A1 (0.43) ALDH1A1TDP1CA2GRIK1MMP1
SCHEMBL7120592 0.75 FNTA (0.39) ALDH1A1TDP1GRIK1CYP2C19CYP2D6
SCHEMBL5611081 0.75 GRIK1 (0.42) ALDH1A1TDP1CA2GRIK1MMP1
SCHEMBL5611085 0.75 GRIK1 (0.42) ALDH1A1TDP1CA2GRIK1MMP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114262550-A Silane modified acrylic resin, synthetic method and primer for silicone rubber 深圳市康利邦科技有限公司 2022-04-01 CN disclosed
CN-112852369-B High-temperature-resistant epoxy adhesive and preparation method thereof 东莞市德聚胶接技术有限公司 2021-10-12 CN disclosed
CN-112852369-A High-temperature-resistant epoxy adhesive and preparation method thereof 东莞市德聚胶接技术有限公司 2021-05-28 CN disclosed
CN-108864171-A A kind of preparation method of triisopropylsilyl methacrylate 扬州三友合成化工有限公司 2018-11-23 CN disclosed
CN-108864171-A A kind of preparation method of triisopropylsilyl methacrylate 扬州三友合成化工有限公司 2018-11-23 CN disclosed